- Home
- Publications
- Publication Search
- Publication Details
Title
Small-molecule ligand docking into comparative models with Rosetta
Authors
Keywords
-
Journal
Nature Protocols
Volume 8, Issue 7, Pages 1277-1298
Publisher
Springer Nature America, Inc
Online
2013-06-06
DOI
10.1038/nprot.2013.074
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Simultaneous prediction of protein secondary structure and transmembrane spans
- (2013) Julia Koehler Leman et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Prediction of HIV-1 Protease/Inhibitor Affinity using RosettaLigand
- (2012) Gordon Lemmon et al. Chemical Biology & Drug Design
- Ligand-mimicking Receptor Variant Discloses Binding and Activation Mode of Prolactin-releasing Peptide
- (2012) Daniel Rathmann et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Mapping of discontinuous conformational epitopes by amide hydrogen/deuterium exchange mass spectrometry and computational docking
- (2012) Deepangi Pandit et al. JOURNAL OF MOLECULAR RECOGNITION
- Using RosettaLigand for Small Molecule Docking into Comparative Models
- (2012) Kristian W. Kaufmann et al. PLoS One
- Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples
- (2012) O. F. Lange et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Structural Probing of a Protein Phosphatase 2A Network by Chemical Cross-Linking and Mass Spectrometry
- (2012) F. Herzog et al. SCIENCE
- Exploring Symmetry as an Avenue to the Computational Design of Large Protein Domains
- (2011) Carie Fortenberry et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Improved molecular replacement by density- and energy-guided protein structure optimization
- (2011) Frank DiMaio et al. NATURE
- Ligand discovery from a dopamine D3 receptor homology model and crystal structure
- (2011) Jens Carlsson et al. Nature Chemical Biology
- RosettaScripts: A Scripting Language Interface to the Rosetta Macromolecular Modeling Suite
- (2011) Sarel J. Fleishman et al. PLoS One
- Generalized Fragment Picking in Rosetta: Design, Protocols and Applications
- (2011) Dominik Gront et al. PLoS One
- Resolution-adapted recombination of structural features significantly improves sampling in restraint-guided structure calculation
- (2011) Oliver F. Lange et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Accelerated Profile HMM Searches
- (2011) Sean R. Eddy PLoS Computational Biology
- Y95 and E444 Interaction Required for High-Affinity S-Citalopram Binding in the Human Serotonin Transporter
- (2010) Steven Combs et al. ACS Chemical Neuroscience
- Practically Useful: What the RosettaProtein Modeling Suite Can Do for You
- (2010) Kristian W. Kaufmann et al. BIOCHEMISTRY
- RosettaEPR: An integrated tool for protein structure determination from sparse EPR data
- (2010) Stephanie J. Hirst et al. JOURNAL OF STRUCTURAL BIOLOGY
- Improved Fitting of Solution X-ray Scattering Data to Macromolecular Structures and Structural Ensembles by Explicit Water Modeling
- (2010) Alexander Grishaev et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- 3DLigandSite: predicting ligand-binding sites using similar structures
- (2010) Mark N. Wass et al. NUCLEIC ACIDS RESEARCH
- Design and directed evolution of a dideoxy purine nucleoside phosphorylase
- (2010) David P. Nannemann et al. PROTEIN ENGINEERING DESIGN & SELECTION
- De novo structure generation using chemical shifts for proteins with high-sequence identity but different folds
- (2010) Yang Shen et al. PROTEIN SCIENCE
- Computational Design of an Enzyme Catalyst for a Stereoselective Bimolecular Diels-Alder Reaction
- (2010) J. B. Siegel et al. SCIENCE
- Interactions of H562 in the S5 Helix with T618 and S621 in the Pore Helix Are Important Determinants of hERG1 Potassium Channel Structure and Function
- (2009) James P. Lees-Miller et al. BIOPHYSICAL JOURNAL
- AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
- (2009) Garrett M. Morris et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Prospective virtual screening with Ultrafast Shape Recognition: the identification of novel inhibitors of arylamine N-acetyltransferases
- (2009) P. J. Ballester et al. Journal of the Royal Society Interface
- Sub-angstrom accuracy in protein loop reconstruction by robotics-inspired conformational sampling
- (2009) Daniel J Mandell et al. NATURE METHODS
- Protein structure prediction on the Web: a case study using the Phyre server
- (2009) Lawrence A Kelley et al. Nature Protocols
- Blind docking of pharmaceutically relevant compounds using RosettaLigand
- (2009) Ian W. Davis et al. PROTEIN SCIENCE
- Structure prediction for CASP8 with all-atom refinement using Rosetta
- (2009) Srivatsan Raman et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Macromolecular Modeling with Rosetta
- (2008) Rhiju Das et al. Annual Review of Biochemistry
- Experimental and Computational Analyses of the Energetic Basis for Dual Recognition of Immunity Proteins by Colicin Endonucleases
- (2008) Anthony H. Keeble et al. JOURNAL OF MOLECULAR BIOLOGY
- RosettaLigand Docking with Full Ligand and Receptor Flexibility
- (2008) Ian W. Davis et al. JOURNAL OF MOLECULAR BIOLOGY
- Structural determinants of species-selective substrate recognition in human andDrosophilaserotonin transporters revealed through computational docking studies
- (2008) Kristian W. Kaufmann et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- De Novo High-Resolution Protein Structure Determination from Sparse Spin-Labeling EPR Data
- (2008) Nathan Alexander et al. STRUCTURE
- Voyages to the (un)known: adaptive design of bioactive compounds
- (2008) Gisbert Schneider et al. TRENDS IN BIOTECHNOLOGY
- PocketDepth: A new depth based algorithm for identification of ligand binding sites in proteins
- (2007) Yeturu Kalidas et al. JOURNAL OF STRUCTURAL BIOLOGY
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search